Basic information
- Standard SMILES
C[C@@H](c1ccc(-c2ccc(=O)[nH]c2)cc1)N1CC[C@](CC(C)(C)C#N)(c2ccccc2)OC1=O- InChIKey
KYWKGDBMUJBWCD-MMTVBGGISA-N- Molecular formula
- C28H29N3O3
- Average molar mass
- 455.5 g/mol
- Monoisotopic mass
- 455.2208918
Names & identifiers
- Preferred name
- 2,2-dimethyl-3-((R)-2-oxo-3-((S)-1-(4-(6-oxo-1,6-dihydropyridin-3-yl)phenyl)ethyl)-6-phenyl-1,3-oxazinan-6-yl)propanenitrile
- IUPAC
- 2,2-dimethyl-3-[(6R)-2-oxo-3-[(1S)-1-[4-(6-oxo-1H-pyridin-3-yl)phenyl]ethyl]-6-phenyl-1,3-oxazinan-6-yl]propanenitrile
Names & synonyms
SCHEMBL118675KYWKGDBMUJBWCD-MMTVBGGISA-N2,2-dimethyl-3-((R)-2-oxo-3-((S)-1-(4-(6-oxo-1,6-dihydropyridin-3-yl)phenyl)ethyl)-6-phenyl-1,3-oxazinan-6-yl)propanenitrile
Database identifiers
- PubChem CID
- 59635637
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 82.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 884
Related reactions
18 records
Compound notes
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